5-β-Pregnan-3-α,20-β-diol, TMS

• Formula: C₂₇H₅₂O₂Si₂
• Molecular weight: 464.8716
• IUPAC Standard InChI: InChI=1S/C27H52O2Si2/c1-19(28-30(4,5)6)23-12-13-24-22-11-10-20-18-21(29-31(7,8)9)14-16-26(20,2)25(22)15-17-27(23,24)3/h19-25H,10-18H2,1-9H3/t19-,20+,21+,22?,23+,24?,25?,26-,27+/m1/s1 Copy

  
• IUPAC Standard InChIKey: PSZRAFDARWUCMW-WPBWPDMKSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • Pregnane-3,20-diol, (3α,5β,20S)-, 2TMS derivative
  • 5-β-Pregnan-3-α,20-α-diol, TMS
  • Allo-pregnanediol, MO TMS
  • 5-α-Pregnan-3-α,20-α-diol, TMS
  • 5-α-Pregnan-3-β,20-α-diol, TMS
  • 5-β-Pregnan-3-β,20-α-diol, TMS
  • 5-α-Pregnan-3-α,20-β-diol, TMS
  • 5-α-Pregnan-3-β,20-β-diol, TMS
  • 5-β-Pregnan-3-β,20-β-diol, TMS
  • 5-α-Pregnan-3-β,20-α-diol, MeTMS
  • 5-β-Pregnan-3-β,20-α-diol, MeTMS
• Other names: 5β-Pregnane-3α,20α-diol, MO-TMS; 5-β-Pregnan-3-α,20-α-diol, MeTMS
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• Information on this page:
  • Normal alkane RI, non-polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Options:
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Normal alkane RI, non-polar column, custom temperature program

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

References

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Meng, Reyes, et al., 1997
Meng, L.-J.; Reyes, H.; Palma, J.; Hernandez, I.; Ribalta, J.; Sjövall, J., Profiles of bile acids and progesterone metabolites in the urine and serum of women with intrahepatic cholestasis of pregnancy, J. Hepatol., 1997, 27, 2, 346-357, https://doi.org/10.1016/S0168-8278(97)80181-X . [all data]

Vandenheuvel, 1975
Vandenheuvel, F.A., Gas-liquid chromatographic studies of reactions and structural relationships of steroids, J. Chromatogr., 1975, 103, 1, 113-134, https://doi.org/10.1016/S0021-9673(00)83806-6 . [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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